Molecular Properties | |
SMILES: | O=C(NCc1nc(-c2cccc(O)c2)no1)c1cncnc1 |
MW: | 297.09 |
Fraction sp3: | 0.07 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 114.03 |
cLogP: | 1.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-90
0.434
MAR-TRE-92684b97-81
0.410
MAR-TRE-8190bb11-80
0.407
MAR-TRE-9d18ae8c-6
0.405
MAR-TRE-be9ff7d2-59
0.396
MAR-TRE-be9ff7d2-67
0.392
MAR-TRE-66ac689e-28
0.390
MAR-TRE-66ac689e-69
0.389
MAR-TRE-c317dd82-75
0.387
MAR-TRE-e82e6c98-67
0.387
MAR-TRE-799db12b-64
0.378
MAR-TRE-92684b97-47
0.376
MAR-TRE-799db12b-44
0.376
MAR-TRE-66ac689e-12
0.373
MAR-TRE-9d18ae8c-74
0.369
MAR-TRE-9d18ae8c-81
0.368
MAR-TRE-e82e6c98-95
0.368
MAR-TRE-4f781e27-88
0.368
MAR-TRE-8190bb11-31
0.367
MAR-TRE-66ac689e-41
0.366
MAR-TRE-66ac689e-73
0.365
MAR-TRE-799db12b-48
0.364
MAR-TRE-9d18ae8c-46
0.364
MAR-TRE-92684b97-78
0.364
MAR-TRE-799db12b-59
0.364
MAR-TRE-66ac689e-54
0.363
MAR-TRE-e82e6c98-91
0.360
MAR-TRE-4f781e27-83
0.360
MAR-TRE-8190bb11-42
0.358
MAR-TRE-e82e6c98-57
0.358
MAR-TRE-4f781e27-28
0.357
MAR-TRE-799db12b-16
0.356
MAR-TRE-92684b97-53
0.356
MAR-TRE-66ac689e-1
0.356
MAR-TRE-a9136c7b-37
0.355
MAR-TRE-8190bb11-24
0.354
MAR-TRE-8190bb11-85
0.354
MAR-TRE-4f781e27-99
0.354
MAR-TRE-e82e6c98-23
0.354
MAR-TRE-8190bb11-82
0.353
MAR-TRE-799db12b-7
0.352
MAR-TRE-8190bb11-8
0.352
MAR-TRE-799db12b-18
0.351
MAR-TRE-4f781e27-11
0.351
MAR-TRE-4f781e27-100
0.349
MAR-TRE-66ac689e-37
0.349
MAR-TRE-799db12b-3
0.348
MAR-TRE-4f781e27-75
0.348
MAR-TRE-799db12b-24
0.348
MAR-TRE-799db12b-4
0.347
MAR-TRE-8190bb11-71
0.346
MAR-TRE-92684b97-11
0.345
MAR-TRE-9d18ae8c-53
0.345
MAR-TRE-9d18ae8c-52
0.344
MAR-TRE-9d18ae8c-36
0.344
MAR-TRE-66ac689e-33
0.344
MAR-TRE-66ac689e-47
0.344
MAR-TRE-9d18ae8c-30
0.344
MAR-TRE-be9ff7d2-17
0.341
MAR-TRE-92684b97-82
0.341
MAR-TRE-799db12b-27
0.341
MAR-TRE-a9136c7b-11
0.340
MAR-TRE-4f781e27-49
0.338
MAR-TRE-799db12b-35
0.337
MAR-TRE-92684b97-54
0.337
MAR-TRE-8190bb11-81
0.337
MAR-TRE-66ac689e-29
0.337
MAR-TRE-c317dd82-81
0.337
MAR-TRE-92684b97-96
0.337
MAR-TRE-799db12b-69
0.337
MAR-TRE-9d18ae8c-18
0.333
MAR-TRE-8190bb11-34
0.333
MAR-TRE-e82e6c98-68
0.333
MAR-TRE-a9136c7b-100
0.333
MAR-TRE-799db12b-2
0.333
MAR-TRE-799db12b-33
0.333
MAR-TRE-66ac689e-74
0.333
MAR-TRE-66ac689e-84
0.333
MAR-TRE-92684b97-44
0.333
MAR-TRE-9d18ae8c-54
0.333
MAR-TRE-9d18ae8c-65
0.330
MAR-TRE-4f781e27-2
0.330
MAR-TRE-9d18ae8c-84
0.330
MAR-TRE-4f781e27-92
0.330
MAR-TRE-8190bb11-40
0.330
MAR-TRE-c317dd82-55
0.329
MAR-TRE-92684b97-66
0.329
MAR-TRE-8190bb11-13
0.329
MAR-TRE-8190bb11-9
0.326
MAR-TRE-799db12b-76
0.326
MAR-TRE-a9136c7b-17
0.326
MAR-TRE-9d18ae8c-7
0.326
MAR-TRE-799db12b-89
0.326
MAR-TRE-66ac689e-21
0.326
MAR-TRE-8190bb11-86
0.326
MAR-TRE-a9136c7b-54
0.326
MAR-TRE-be9ff7d2-11
0.325
MAR-TRE-c317dd82-67
0.323
MAR-TRE-799db12b-51
0.323
MAR-TRE-9d18ae8c-11
0.323